Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19123
- Core Entity Id
- 24435
- Source Entity Count
- 1
- Preferred Name
- Fauridine
- Name En
- Pubchem Id
- 10723238
- Smiles Canonical
- CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC
- Molecular Formula
- C40H46N2O8
- Molecular Weight
- 682.8140
- Inchikey
- UIXXHKFZZFPZMM-NSOVKSMOSA-N
- Inchi
- InChI=1S/C40H46N2O8/c1-41-13-11-22-17-32(45-4)29(43)20-26(22)27(41)16-25-19-33(46-5)34(47-6)21-31(25)50-40-35(48-7)18-24-12-14-42(2)28-15-23-9-10-30(44-3)39(49-8)37(23)38(40)36(24)28/h9-10,17-21,27-28,43H,11-16H2,1-8H3/t27-,28-/m0/s1
- Isomeric Smiles
- CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 6.7599
- Num H Donors
- 1
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.1940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fauridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fauridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
fauridine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026403
Tcmid
39466
Pub Chem
10723238
Tcmbank
TCMBANKIN035844
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C40H46N2O8/c1-41-13-11-22-17-32(45-4)29(43)20-26(22)27(41)16-25-19-33(46-5)34(47-6)21-31(25)50-40-35(48-7)18-24-12-14-42(2)28-15-23-9-10-30(44-3)39(49-8)37(23)38(40)36(24)28/h9-10,17-21,27-28,43H,11-16H2,1-8H3/t27-,28-/m0/s1
Mol Wt
682.8140000000003
Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC
Mol Log P
6.75990000000001
In Ch Ikey
UIXXHKFZZFPZMM-NSOVKSMOSA-N
Num Hdonors
1
Drug Likeness
0.194
Num Hacceptors
10
Isomeric Smiles
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC
Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC
Molecular Weight
682.8 g/mol
Molecular Formula
C40H46N2O8
Molecular Formula
C40H46N2O8
Num Rotatable Bonds
10